SCHEMBL12837508

SCHEMBL12837508

CC(=O)C(CCCNC(=N)N)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.39
NPY1R P25929 9/20 0.39
NPY5R Q15761 8/20 0.39
NPY2R P49146 5/20 0.39
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KISS1R Q969F8 1/20 0.33
SIRT5 Q9NXA8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13402566 0.92 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL14599990 0.89 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL7602596 0.89 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL14199839 0.87 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL9298017 0.87 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL24420994 0.87 C3AR1 (0.36) MEN1KMT2AKISS1RSIRT5
SCHEMBL21152967 0.87 C3AR1 (0.36) MEN1KMT2AKISS1RSIRT5
SCHEMBL20104594 0.86 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL19227057 0.86 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL26757511 0.86 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312653-A1 CYCLIC CELL PENETRATING PEPTIDES ENTRADA THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20230027739-A1 ANTIGEN-BINDING AND ANTIGEN DEGRADATION CONSTRUCTS ENTRADA THERAPEUTICS, INC. 2023-01-26 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
US-20110052519-A1 PEPTIDE DERIVATIVES USEFUL IN THE TREATMENT, CARE OR CLEANSING OF THE SKIN, MUCOSAE, SCALP OR NAILS PUIG, S.A. (ES) 2011-03-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230312653-A1 CYCLIC CELL PENETRATING PEPTIDES SLC47A1, SLC47A2, VIP NPY4R 2162/4885NPY1R 1441/4885NPY5R 2593/4885
US-20110052519-A1 PEPTIDE DERIVATIVES USEFUL IN THE TREATMENT, CARE OR CLEANSING OF THE SKIN, MUCOSAE, SCALP OR NAILS POLR1C, NGLY1, SSTR4 NPY4R 222/4885NPY1R 180/4885NPY5R 495/4885
US-20230027739-A1 ANTIGEN-BINDING AND ANTIGEN DEGRADATION CONSTRUCTS PRCP, TAP1, DNPEP NPY4R 3415/4885NPY1R 3263/4885NPY5R 3474/4885
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B NPY4R 4146/4885NPY1R 4384/4885NPY5R 4236/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B NPY4R 4146/4885NPY1R 4384/4885NPY5R 4236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.